ChemDiv1_012558
TL;DR: ChemDiv1_012558 (CAS 393586-49-7) is a chemical compound with molecular formula C26H26N6O5S2 and molecular weight 566.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: ChemDiv1_012558, F0514-4608, N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}furan-2-carboxamide, N-((5-((2-(5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)methyl)furan-2-carboxamide, N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
| Molecular Formula | C26H26N6O5S2 |
|---|---|
| Molecular Weight | 566.14 g/mol |
| LogP | 3.8868 |
| Topological Polar Surface Area | 124.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 566.1406 |
| Heavy Atoms | 39 |
| Complexity | 1482.5354 |
Chemical Identifiers
| CAS Number | 393586-49-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=C(C(=CC=C4)OC)OC)CNC(=O)C5=CC=CO5 |
Product Overview
ChemDiv1_012558 (CAS 393586-49-7), with molecular formula C26H26N6O5S2 and molecular weight 566.14 g/mol. IUPAC: N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.
Chemical Property Profile of ChemDiv1_012558
Property Insights of ChemDiv1_012558
The XLogP value of 3.8868 indicates that ChemDiv1_012558 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012558. Following Lipinski's Rule of Five, ChemDiv1_012558 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012558?
The CAS number of ChemDiv1_012558 is 393586-49-7.
What is the molecular formula of ChemDiv1_012558?
The molecular formula of ChemDiv1_012558 is C26H26N6O5S2.
What is the molecular weight of ChemDiv1_012558?
The molecular weight of ChemDiv1_012558 is 566.14 g/mol.
Where can I buy ChemDiv1_012558?
You can request a quote for ChemDiv1_012558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012558?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.